Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Piperazin-1-ylnicotinamide |
EINECS | N/A |
CAS No. | 87394-64-7 | Density | 1.216 g/cm3 |
PSA | 71.25000 | LogP | 2.28820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H14N4O | Boiling Point | 434.981 °C at 760 mmHg |
Molecular Weight | 206.247 | Flash Point | 216.869 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-pyridinecarboxamide, 2-(1-piperazinyl)-;2-(piperazin-1-yl)pyridine-3-carboxamide;2-Piperazin-1-yl-nicotinamide; |
Article Data | 3 |
The CAS register number of 2-Piperazin-1-ylnicotinamide is 87394-64-7. It also can be called as 3-pyridinecarboxamide, 2-(1-piperazinyl)- and the systematic name about this chemical is 2-(piperazin-1-yl)pyridine-3-carboxamide. The molecular formula about this chemical is C10H14N4O and molecular weight is 206.24.
Physical properties about 2-Piperazin-1-ylnicotinamide are: (1)ACD/LogP: -0.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 71.25Å2; (10)Index of Refraction: 1.585; (11)Molar Refractivity: 56.827 cm3; (12)Molar Volume: 169.659 cm3; (13)Polarizability: 22.528x10-24cm3; (14)Surface Tension: 52.978 dyne/cm; (15)Flash Point: 216.869 °C; (16)Enthalpy of Vaporization: 69.119 kJ/mol; (17)Boiling Point: 434.981 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)c1cccnc1N2CCNCC2
(2)InChI: InChI=1/C10H14N4O/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H2,11,15)
(3)InChIKey: RYNARQDUUQTTFJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H14N4O/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H2,11,15)
(5)Std. InChIKey: RYNARQDUUQTTFJ-UHFFFAOYSA-N